Sodium aristolochate

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  • Identifiers

    CAS number
    10190-99-5

    Molecular formula
    C17H10NNaO7

    SMILES
    COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 56.33%
    Powdery 44.94%
    Floral 40.88%
    Musk 38.42%
    Odorless 36.53%
    Vanilla 36.27%
    Balsamic 34.57%
    Creamy 30.56%
    Neroli 30.29%
    Fatty 29.65%

     

    Flavor
    Bitter 91.31%
    Odorless 36.62%
    Bland 26.95%
    Sweet-like 19.91%
    Lovage 18.98%
    Nitrile 18.74%
    Cedarleaf 18.61%
    Parsley 18.38%
    Very strong 18.06%
    Indole 17.81%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.58 (weak acid)

    Molecular weight
    363.25 g/mol

    Flash point

    • 291.99 ˚C est.

  • Synonyms

    • Sodium aristolochate
    • Sodium aristolochate-I
    • KTM3D3H78E
    • Aristolochic acid, sodium salt
    • DTXSID3020099
    • DTXCID7099
    • aristolochic acid I, sodium salt
    • Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, sodium salt
    • RefChem:887210
    • 10190-99-5
    • Sodium aristolate 1
    • Aristolochic acid sodium salt
    • Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, sodium salt (1:1)
    • Aristolochic acid, sodium salt (77% AA I, 21% AA II)
    • sodium;8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
    • CCRIS 6498
    • MFCD00210760
    • EINECS 233-463-4
    • UNII-KTM3D3H78E
    • Aristolochic Acid Sodium
    • 52232-70-9
    • PHENANTHRO(3,4-D)-1,3-DIOXOLE-5-CARBOXYLIC ACID, 8-METHOXY-6-NITRO-, SODIUM SALT (1:1)
    • Sodium 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate
    • orb2564193
    • CHEMBL3187459
    • NIOSH/SF8281000
    • SCHEMBL15537024
    • SCHEMBL29968507
    • Tox21_200026
    • NCGC00257580-01
    • CAS-10190-99-5
    • Aristolochic acid for system suitability CRS
    • NS00080607
    • SF82810000
    • G78080
    • Aristolochic acid I sodium salt, powder, >=97%
    • ARISTOLOCHIC ACID, SODIUM SALT [WHO-DD]
    • Q27282434
    • Aristolochic acid sodium salt (I and II) for biochemistry
    • Sodium 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
    • 8-Methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid sodium salt
    • Aristolocholic acid for system suitability, European Pharmacopoeia (EP) Reference Standard
    • Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid,8-methoxy-6-nitro-,sodium salt(1:1)
    • 10190-99-5

  • Applications

    Sodium aristolochate (CAS 10190-99-5) is the sodium salt of aristolochic acid and is primarily of interest as an organic synthesis intermediate and a laboratory reagent for studies on aromatic carboxylates and metal-binding systems. Industrial applications are highly restricted due to toxicity and strict regulatory controls. It may also be encountered as an intermediate or byproduct in natural product isolation from Aristolochia species. Additionally, it is occasionally evaluated as a ligand in specialized catalytic systems for exploratory research, with handling and use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.74
    methanol 2.69
    isopropanol 0.91
    water 0.08
    ethyl acetate 13.05
    n-propanol 1.07
    acetone 14.87
    n-butanol 0.62
    acetonitrile 11.53
    DMF 99.03
    toluene 1.82
    isobutanol 0.73
    1,4-dioxane 23.0
    methyl acetate 22.55
    THF 29.16
    2-butanone 12.43
    n-pentanol 0.62
    sec-butanol 0.86
    n-hexane 0.03
    ethylene glycol 5.0
    NMP 145.47
    cyclohexane 0.06
    DMSO 75.26
    n-butyl acetate 9.21
    n-octanol 0.94
    chloroform 6.78
    n-propyl acetate 10.81
    acetic acid 22.93
    dichloromethane 13.72
    cyclohexanone 15.63
    propylene glycol 1.8
    isopropyl acetate 8.05
    DMAc 116.68
    2-ethoxyethanol 11.95
    isopentanol 0.74
    n-heptane 0.06
    ethyl formate 7.95
    1,2-dichloroethane 10.02
    n-hexanol 0.87
    2-methoxyethanol 20.56
    isobutyl acetate 4.28
    tetrachloromethane 0.79
    n-pentyl acetate 6.29
    transcutol 30.4
    n-heptanol 1.2
    ethylbenzene 1.35
    MIBK 3.51
    2-propoxyethanol 16.09
    tert-butanol 1.23
    MTBE 1.76
    2-butoxyethanol 9.16
    propionic acid 9.94
    o-xylene 1.99
    formic acid 22.23
    diethyl ether 2.82
    m-xylene 1.34
    p-xylene 1.76
    chlorobenzene 3.52
    dimethyl carbonate 34.27
    n-octane 0.04
    formamide 54.52
    cyclopentanone 35.82
    2-pentanone 5.8
    anisole 9.79
    cyclopentyl methyl ether 7.73
    gamma-butyrolactone 70.89
    1-methoxy-2-propanol 12.07
    pyridine 23.11
    3-pentanone 7.91
    furfural 64.44
    n-dodecane 0.06
    diethylene glycol 23.52
    diisopropyl ether 0.89
    tert-amyl alcohol 1.34
    acetylacetone 24.05
    n-hexadecane 0.07
    acetophenone 16.92
    methyl propionate 20.2
    isopentyl acetate 7.66
    trichloroethylene 27.6
    n-nonanol 1.21
    cyclohexanol 1.41
    benzyl alcohol 7.22
    2-ethylhexanol 1.2
    isooctanol 1.16
    dipropyl ether 2.96
    1,2-dichlorobenzene 5.18
    ethyl lactate 10.88
    propylene carbonate 25.69
    n-methylformamide 32.36
    2-pentanol 0.52
    n-pentane 0.03
    1-propoxy-2-propanol 9.73
    1-methoxy-2-propyl acetate 24.37
    2-(2-methoxypropoxy) propanol 15.9
    mesitylene 0.86
    ε-caprolactone 23.71
    p-cymene 1.56
    epichlorohydrin 49.52
    1,1,1-trichloroethane 4.33
    2-aminoethanol 3.7
    morpholine-4-carbaldehyde 115.98
    sulfolane 98.6
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 11.32
    n-hexyl acetate 6.15
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 14.2
    sec-butyl acetate 6.42
    tert-butyl acetate 9.28
    decalin 0.1
    glycerin 10.37
    diglyme 38.46
    acrylic acid 20.28
    isopropyl myristate 3.14
    n-butyric acid 5.66
    acetyl acetate 15.71
    di(2-ethylhexyl) phthalate 5.24
    ethyl propionate 11.72
    nitromethane 102.33
    1,2-diethoxyethane 9.86
    benzonitrile 8.09
    trioctyl phosphate 3.0
    1-bromopropane 1.54
    gamma-valerolactone 72.57
    n-decanol 0.96
    triethyl phosphate 9.35
    4-methyl-2-pentanol 0.49
    propionitrile 4.97
    vinylene carbonate 29.7
    1,1,2-trichlorotrifluoroethane 52.33
    DMS 25.79
    cumene 1.05
    2-octanol 0.7
    2-hexanone 5.7
    octyl acetate 4.29
    limonene 1.8
    1,2-dimethoxyethane 25.51
    ethyl orthosilicate 7.21
    tributyl phosphate 4.18
    diacetone alcohol 11.94
    N,N-dimethylaniline 7.27
    acrylonitrile 15.35
    aniline 5.58
    1,3-propanediol 3.85
    bromobenzene 3.16
    dibromomethane 4.4
    1,1,2,2-tetrachloroethane 14.96
    2-methyl-cyclohexyl acetate 8.95
    tetrabutyl urea 6.97
    diisobutyl methanol 0.92
    2-phenylethanol 7.55
    styrene 1.98
    dioctyl adipate 7.49
    dimethyl sulfate 85.84
    ethyl butyrate 9.11
    methyl lactate 21.64
    butyl lactate 7.42
    diethyl carbonate 9.84
    propanediol butyl ether 6.64
    triethyl orthoformate 9.08
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 14.63
    morpholine 22.06
    tert-butylamine 0.47
    n-dodecanol 0.77
    dimethoxymethane 33.02
    ethylene carbonate 19.19
    cyrene 26.65
    2-ethoxyethyl acetate 17.33
    2-ethylhexyl acetate 6.42
    1,2,4-trichlorobenzene 10.04
    4-methylpyridine 15.19
    dibutyl ether 1.72
    2,6-dimethyl-4-heptanol 0.92
    DEF 23.43
    dimethyl isosorbide 36.15
    tetrachloroethylene 10.06
    eugenol 15.31
    triacetin 21.27
    span 80 8.97
    1,4-butanediol 2.04
    1,1-dichloroethane 3.65
    2-methyl-1-pentanol 0.78
    methyl formate 32.03
    2-methyl-1-butanol 0.79
    n-decane 0.09
    butyronitrile 2.16
    3,7-dimethyl-1-octanol 1.15
    1-chlorooctane 0.56
    1-chlorotetradecane 0.32
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 2.47
    tetrahydropyran 5.04
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 29.9
    1-hexene 0.18
    2-isopropoxyethanol 8.31
    2,2,2-trifluoroethanol 19.42
    methyl butyrate 12.14

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction